CID 2782523

2-fluoroacrylic acid

Structural Information

Molecular Formula
C3H3FO2
SMILES
C=C(C(=O)O)F
InChI
InChI=1S/C3H3FO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
TYCFGHUTYSLISP-UHFFFAOYSA-N
Compound name
2-fluoroprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10773
Patents

90.01171 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.018986 111.2
[M+Na]+ 113.00093 119.4
[M-H]- 89.004434 109.4
[M+NH4]+ 108.04553 134.0
[M+K]+ 128.97487 119.3
[M+H-H2O]+ 73.008970 106.8
[M+HCOO]- 135.00991 132.4
[M+CH3COO]- 149.02556 161.9
[M+Na-2H]- 110.98638 116.4
[M]+ 90.011161 108.4
[M]- 90.012259 108.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe